EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:99453 - (2R,3R,3aS,9bS)-3-(hydroxymethyl)-7-(3-methoxyphenyl)-6-oxo-1-(2-thiazolylmethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester

ChEBI IDCHEBI:99453
ChEBI Name(2R,3R,3aS,9bS)-3-(hydroxymethyl)-7-(3-methoxyphenyl)-6-oxo-1-(2-thiazolylmethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester
Stars
DownloadsMolfile
FormulaC24H25N3O5S
Net Charge0
Average Mass467.547
Monoisotopic Mass467.15149
SMILESCOC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccc(OC)c4)c3=O)[C@H]2N1Cc1nccs1
InChIInChI=1S/C24H25N3O5S/c1-31-15-5-3-4-14(10-15)16-6-7-19-21-17(11-26(19)23(16)29)18(13-28)22(24(30)32-2)27(21)12-20-25-8-9-33-20/h3-10,17-18,21-22,28H,11-13H2,1-2H3/t17-,18-,21+,22-/m1/s1
InChIKeyVROAXWWRWFQWDA-RPHTVSPISA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,3R,3aS,9bS)-3-(hydroxymethyl)-7-(3-methoxyphenyl)-6-oxo-1-(2-thiazolylmethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester (CHEBI:99453) is a α-amino acid ester (CHEBI:46874)
Manual XrefsDatabases
LSM-10832LINCS